The Institute for Aqua Regeneration will hold a seminar on Data-Driven AI as detailed below. We look forward to the participation of many of you. Students are also highly welcome to attend, so please spread the word within your labs.
Date & Time Thursday, October 9, 2025, 15:00 - 17:00
Venue Shinshu University Nagano (Engineering) Campus, AICS 4F Communication Room
Online: Via Zoom (Please contact the inquiry address below if you wish to participate.)
Presentations
Lecture 1:
Dr. Pavel Sidorov (Junior PI, Associate Professor, Institute for Chemical Reaction Design and Discovery (ICReDD), Hokkaido University)
"From experiments, to experiments: lab meets informatics"
Effective usage of chemoinformatics tools requires high-quality data, so the collaboration with the experimental and/or computational chemistry groups is paramount. However, this also requires the development of tools that facilitate work on both ends. In this presentation, some tools that were developed in our group are shown and discussed.
Lecture 2:
Dr. Shunsaku Yasumura (Assistant Professor, The University of Tokyo)
"The Potential of Neural Network Potentials in Solid Catalyst Development"
The use of Neural Network Potentials (NNP), which enable high-speed computation while maintaining the same level of accuracy as first-principles calculations, is rapidly expanding. By treating NNP as a versatile reaction force field and combining it with automated reaction path search methods, it is possible to efficiently explore thousands of reaction paths starting from a given initial state. This lecture will introduce a case study on performing kinetic analysis of the vast explored reaction paths to attempt qualitative activity prediction of solid catalysts.
Inquiries:
Professor Michihisa Koyama (Special Appointment)
koyama_michihisa@shinshu-u.ac.jp
We look forward to seeing you there.
